potassium 9-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethylamino]-9-oxononan-1-olate

C21H42KNO5 — CID 155739545

IUPACpotassium 9-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethylamino]-9-oxononan-1-olate
SMILESCC(C)CCCOCCOCCOCCNC(=O)CCCCCCCC[O-].[K+]
InChIInChI=1S/C21H42NO5.K/c1-20(2)10-9-14-25-16-18-27-19-17-26-15-12-22-21(24)11-7-5-3-4-6-8-13-23;/h20H,3-19H2,1-2H3,(H,22,24);/q-1;+1
InChIKeyGMRLSSPGNZALBU-UHFFFAOYSA-N
MW427.67 g/mol
LogP-0.32
Rot. Bonds21

About potassium 9-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethylamino]-9-oxononan-1-olate

potassium 9-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethylamino]-9-oxononan-1-olate (PubChem CID 155739545) has the molecular formula C21H42KNO5 and a molecular weight of 427.67 g/mol. Its IUPAC name is potassium 9-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethylamino]-9-oxononan-1-olate.

Molecular Properties

Compound Namepotassium 9-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethylamino]-9-oxononan-1-olate
PubChem CID155739545
Molecular FormulaC21H42KNO5
Molecular Weight427.67 g/mol
Exact Mass427.27
IUPAC Namepotassium 9-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethylamino]-9-oxononan-1-olate
SMILESCC(C)CCCOCCOCCOCCNC(=O)CCCCCCCC[O-].[K+]
InChIInChI=1S/C21H42NO5.K/c1-20(2)10-9-14-25-16-18-27-19-17-26-15-12-22-21(24)11-7-5-3-4-6-8-13-23;/h20H,3-19H2,1-2H3,(H,22,24);/q-1;+1
InChIKeyGMRLSSPGNZALBU-UHFFFAOYSA-N
XLogP-0.32
TPSA79.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.67
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-hydroxy-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]nonanamide
CID 155740636
6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide
CID 130253038
N-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen
CID 155739554
6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 168756309
5-hydroxy-N-[2-(3-methylbutoxy)ethyl]pentanamide
CID 79209495
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide
CID 162766798
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propanamide
CID 138727288
N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]acetamide
CID 153390509
4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride
CID 119741270
5-ethoxy-N-[2-(3-methylbutoxy)ethyl]pentanamide;molecular hydrogen
CID 177338046
N-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethyl]tetradecanamide
CID 156529774
N-[2-(4-methylpentoxy)ethyl]acetamide
CID 138727622

Frequently Asked Questions

What is the IUPAC name of potassium 9-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethylamino]-9-oxononan-1-olate?
The IUPAC name of potassium 9-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethylamino]-9-oxononan-1-olate (CID 155739545) is potassium 9-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethylamino]-9-oxononan-1-olate.
What is the SMILES notation for potassium 9-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethylamino]-9-oxononan-1-olate?
The canonical SMILES for potassium 9-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethylamino]-9-oxononan-1-olate is CC(C)CCCOCCOCCOCCNC(=O)CCCCCCCC[O-].[K+].
What is the InChIKey of potassium 9-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethylamino]-9-oxononan-1-olate?
The InChIKey is GMRLSSPGNZALBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42NO5.K/c1-20(2)10-9-14-25-16-18-27-19-17-26-15-12-22-21(24)11-7-5-3-4-6-8-13-23;/h20H,3-19H2,1-2H3,(H,22,24);/q-1;+1.
What are the key properties of potassium 9-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethylamino]-9-oxononan-1-olate?
potassium 9-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethylamino]-9-oxononan-1-olate has a molecular weight of 427.67 g/mol, XLogP of -0.32, 21 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 9-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethylamino]-9-oxononan-1-olate is sourced from PubChem (CID 155739545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).